2-bromoethyl(triphenyl)phosphanium bromide

C20H19Br2P — CID 22210408

IUPAC2-bromoethyl(triphenyl)phosphanium bromide
SMILESBrCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C20H19BrP.BrH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17H2;1H/q+1;/p-1
InChIKeyZHLVWYZWQPNQDQ-UHFFFAOYSA-M
MW450.15 g/mol
LogP1.38
Rot. Bonds5

About 2-bromoethyl(triphenyl)phosphanium bromide

2-bromoethyl(triphenyl)phosphanium bromide (PubChem CID 22210408) has the molecular formula C20H19Br2P and a molecular weight of 450.15 g/mol. Its IUPAC name is 2-bromoethyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Name2-bromoethyl(triphenyl)phosphanium bromide
PubChem CID22210408
Molecular FormulaC20H19Br2P
Molecular Weight450.15 g/mol
Exact Mass447.96
IUPAC Name2-bromoethyl(triphenyl)phosphanium bromide
SMILESBrCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C20H19BrP.BrH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17H2;1H/q+1;/p-1
InChIKeyZHLVWYZWQPNQDQ-UHFFFAOYSA-M
XLogP1.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.15
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromoethyl(triphenyl)phosphanium bromide?
The IUPAC name of 2-bromoethyl(triphenyl)phosphanium bromide (CID 22210408) is 2-bromoethyl(triphenyl)phosphanium bromide.
What is the SMILES notation for 2-bromoethyl(triphenyl)phosphanium bromide?
The canonical SMILES for 2-bromoethyl(triphenyl)phosphanium bromide is BrCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of 2-bromoethyl(triphenyl)phosphanium bromide?
The InChIKey is ZHLVWYZWQPNQDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H19BrP.BrH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17H2;1H/q+1;/p-1.
What are the key properties of 2-bromoethyl(triphenyl)phosphanium bromide?
2-bromoethyl(triphenyl)phosphanium bromide has a molecular weight of 450.15 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 22210408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).